CID 116918

Einecs 274-960-6

Structural Information

Molecular Formula
C18H21Cl3N4O4S
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)NCCCl)Cl)N(CCO)CCO
InChI
InChI=1S/C18H21Cl3N4O4S/c19-5-6-22-30(28,29)18-12-15(20)17(11-16(18)21)24-23-13-1-3-14(4-2-13)25(7-9-26)8-10-27/h1-4,11-12,22,26-27H,5-10H2
InChIKey
KYDCGDFUABSMKI-UHFFFAOYSA-N
Compound name
4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.0349 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.04218 208.4
[M+Na]+ 517.02412 214.4
[M-H]- 493.02762 214.8
[M+NH4]+ 512.06872 217.3
[M+K]+ 532.99806 208.4
[M+H-H2O]+ 477.03216 202.1
[M+HCOO]- 539.03310 215.5
[M+CH3COO]- 553.04875 242.7
[M+Na-2H]- 515.00957 209.8
[M]+ 494.03435 217.4
[M]- 494.03545 217.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.